SCHEMBL16588331

SCHEMBL16588331

CC(=O)Nc1cc(C(N)=O)cc(-c2cnc3n2CCC(c2cccc(CN4CCOCC4)c2)=C3)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PARP1 P09874 1/20 0.40
CHRM3 P20309 1/20 0.39
MOK Q9UQ07 2/20 0.39
PLK4 O00444 1/20 0.38
ROCK1 Q13464 1/20 0.38
CNR2 P34972 2/20 0.38
JAK1 P23458 1/20 0.38
NOS1 P29475 1/20 0.38
FYN P06241 3/20 0.37
AOC3 Q16853 1/20 0.37
ABL1 P00519 1/20 0.37
KCNH2 Q12809 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
USP7 Q93009 1/20 0.37
CHUK O15111 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3323124 0.81 KDR (0.48) MAPTSMN1; SMN2CHRM3JAK1FYN
SCHEMBL3323936 0.70 KDR (0.53) FYN
SCHEMBL3323046 0.69 KDR (0.48) SMN1; SMN2MOKJAK1FYNKCNH2
SCHEMBL17754101 0.69 SMN1; SMN2 (0.63) MAPTSMN1; SMN2CHRM3NOS1
SCHEMBL30577399 0.69 SMN1; SMN2 (0.63) MAPTSMN1; SMN2CHRM3NOS1
SCHEMBL3324045 0.69 KDR (0.47) MOKJAK1FYN
SCHEMBL3326947 0.68 KDR (0.52) PARP1JAK1AOC3USP7
SCHEMBL13363814 0.66 KDR (0.50) PARP1JAK1NOS1AOC3USP7
SCHEMBL29864585 0.65 NCF1 (0.61) SMN1; SMN2PARP1NOS1ABL1KCNH2
SCHEMBL4164833 0.65 NCF1 (0.61) SMN1; SMN2PARP1NOS1ABL1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 EP disclosed